Molecule Types Linear Molecules <Prev Next>

Linear Molecule

These are the settings for a linear molecule as a whole, i.e. those common to all states (but perhaps different for different isotopologues).

Settings

nNuclei Number of nuclei to calculate hyperfine structure for. Leave this at 0 unless you want the hyperfine structure simulated.
Jmin Minimum J to use in calculation - set to -1 (default) to use value from the species.
Jmax Maximum J to use in calculation - set to -1 (default) to use value from the species.
Colour Colour - set to "None" to take value from elsewhere as explained in Determining Colours and J ranges.
Symmetric Set true if the molecule has a centre of symmetry.
SymWt Statistical weight of symmetric rotational levels. Ignored if no centre of symmetry. See Making a linear molecule data file for how to set this up.
AsymWt Statistical weight of asymmetric rotational levels. Ignored if no centre of symmetry.
RSquaredH Set to use the R2 Hamiltonian rather than the default N2 form.
ShowJ Show J in state label.
ShowOmega Show Omega in state label.
ShowN Show N in state label.
ShowFNumber Show F Number in state label.
Showef Show e/f symmetry in state label.

Parameters

Abundance Abundance of this isotope; default is 1